CID 206902

28866-28-6

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C23H36N2O2/c1-19-16-23(27-20(2)26,21-12-8-7-9-13-21)22(3,17-24(19)4)18-25-14-10-5-6-11-15-25/h7-9,12-13,19H,5-6,10-11,14-18H2,1-4H3
InChIKey
UUVOCZPTRDKTMA-UHFFFAOYSA-N
Compound name
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 192.4
[M+Na]+ 395.26690 193.9
[M-H]- 371.27040 198.4
[M+NH4]+ 390.31150 204.2
[M+K]+ 411.24084 193.8
[M+H-H2O]+ 355.27494 181.6
[M+HCOO]- 417.27588 203.1
[M+CH3COO]- 431.29153 217.8
[M+Na-2H]- 393.25235 190.7
[M]+ 372.27713 184.7
[M]- 372.27823 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.